test/hoomd_script/test_integrate_nvt.py

   1 # -*- coding: iso-8859-1 -*-
   2 # Maintainer: joaander
   3
   4 from hoomd_script import *
   5 import unittest
   6 import os
   7
   8 # unit tests for integrate.nvt
   9 class integrate_nvt_tests (unittest.TestCase):
  10     def setUp(self):
  11         print
  12         init.create_random(N=100, phi_p=0.05);
  13         force.constant(fx=0.1, fy=0.1, fz=0.1)
  14
  15         sorter.set_params(grid=8)
  16
  17     # tests basic creation of the dump
  18     def test(self):
  19         all = group.all();
  20         integrate.mode_standard(dt=0.005);
  21         integrate.nvt(all, T=1.2, tau=0.5);
  22         run(100);
  23
  24     # tests mtk=False
  25     def test(self):
  26         all = group.all();
  27         integrate.mode_standard(dt=0.005);
  28         integrate.nvt(all, T=1.2, tau=0.5,mtk=False);
  29         run(100);
  30
  31     # test set_params
  32     def test_set_params(self):
  33         all = group.all();
  34         nvt = integrate.nvt(all, T=1.2, tau=0.5);
  35         nvt.set_params(T=1.3);
  36         nvt.set_params(tau=0.6);
  37
  38     # test w/ empty group
  39     def test_empty(self):
  40         empty = group.cuboid(name="empty", xmin=-100, xmax=-100, ymin=-100, ymax=-100, zmin=-100, zmax=-100)
  41         mode = integrate.mode_standard(dt=0.005);
  42         nvt = integrate.nvt(group=empty, T=1.0, tau=0.5)
  43         run(1);
  44
  45     def tearDown(self):
  46         init.reset();
  47
  48 if __name__ == '__main__':
  49     unittest.main(argv = ['test.py', '-v'])